A low-complexity sub-Nyquist sampling system for wideband Radar ESM receivers

International audienc

Crustal influx, indentation, ductile thinning and gravity redistribution in a continental wedge: Building a Moldanubian mantled gneiss dome with underthrust Saxothuringian material (European Variscan belt)

27 p.International audience[1] The contribution of lateral forces, vertical load, gravity redistribution and erosion to the origin of mantled gneiss domes in internal zones of orogens remains debated. In the Orlica-Snieznik dome (Moldanubian zone, European Variscan belt), the polyphase tectono-metamorphic history is initially characterized by the development of subhorizontal fabrics associated with medium- to high-grade metamorphic conditions in different levels of the crust. It reflects the eastward influx of a Saxothuringian-type passive margin sequence below a Teplá-Barrandian upper plate. The ongoing influx of continental crust creates a thick felsic orogenic root with HP rocks and migmatitic orthogneiss. The orogenic wedge is subsequently indented by the eastern Brunia microcontinent producing a multiscale folding of the orogenic infrastructure. The resulting kilometre-scale folding is associated with the variable burial of the middle crust in synforms and the exhumation of the lower crust in antiforms. These localized vertical exchanges of material and heat are coeval with a larger crustal-scale folding of the whole infrastructure generating a general uplift of the dome. It is exemplified by increasing metamorphic conditions and younging of 40Ar/39Ar cooling ages toward the extruded migmatitic subdomes cored by HP rocks. The vertical growth of the dome induces exhumation by pure shear-dominated ductile thinning laterally evolving to non-coaxial detachment faulting, while erosion feeds the surrounding sedimentary basins. Modeling of the Bouguer anomaly grid is compatible with crustal-scale mass transfers between a dense superstructure and a lighter infrastructure. The model implies that the Moldanubian Orlica-Snieznik mantled gneiss dome derives from polyphase recycling of Saxothuringian material

Level of hamstrings damage depending on force-generating capacity and creatine kinase activity

The aim of the present study was to categorize the eccentric exercise-induced hamstrings damage by using easy measurable markers such as force-generating capacity and serum creatine kinase activityPeer ReviewedPostprint (published version

Characterisation of PduS, the pdu Metabolosome Corrin Reductase, and Evidence of Substructural Organisation within the Bacterial Microcompartment

PduS is a corrin reductase and is required for the reactivation of the cobalamin-dependent diol dehydratase. It is one component encoded within the large propanediol utilisation (pdu) operon, which is responsible for the catabolism of 1,2-propanediol within a self-assembled proteinaceous bacterial microcompartment. The enzyme is responsible for the reactivation of the cobalamin coenzyme required by the diol dehydratase. The gene for the cobalamin reductase from Citrobacter freundii (pduS) has been cloned to allow the protein to be overproduced recombinantly in E. coli with an N-terminal His-tag. Purified recombinant PduS is shown to be a flavoprotein with a non-covalently bound FMN that also contains two coupled [4Fe-4S] centres. It is an NADH-dependent flavin reductase that is able to mediate the one-electron reductions of cob(III)alamin to cob(II)alamin and cob(II)alamin to cob(I)alamin. The [4Fe-4S] centres are labile to oxygen and their presence affects the midpoint redox potential of flavin. Evidence is presented that PduS is able to bind cobalamin, which is inconsistent with the view that PduS is merely a flavin reductase. PduS is also shown to interact with one of the shell proteins of the metabolosome, PduT, which is also thought to contain an [Fe-S] cluster. PduS is shown to act as a corrin reductase and its interaction with a shell protein could allow for electron passage out of the bacterial microcompartment

CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes

ABSTRACT: A major goal in drug design is the improvement of computational methods for docking and scoring. The Community Structure Activity Resource (CSAR) aims to collect available data from industry and academia which may be used for this purpose (www.csardock.org). Also, CSAR is charged with organizing community-wide exercises based on the collected data. The first of these exercises was aimed to gauge the overall state of docking and scoring, using a large and diverse data set of protein ligand complexes. Participants were asked to calculate the affinity of the complexes as provided and then recalculate with changes which may improve their specific method. This first data set was selected from existing PDB entries which had binding data (Kd or Ki) in Binding MOAD, augmented with entries from PDBbind. The final data set contains 343 diverse protein ligand complexes and spans 14 pKd. Sixteen proteins have three or more complexes in the data set, from which a user could start an inspection of congeneric series. Inherent experimental error limits the possible correlation between scores and measured affinity; R 2 is limited to ∼0.9 when fitting to the data set without over parametrizing. R 2 is limited to ∼0.8 when scoring the data set with a method trained on outside data. The details of how the data set was initially selected, and the process by which it matured t

A Collective Variable for the Rapid Exploration of Protein Druggability

An efficient molecular simulation methodology has been developed for the evaluation of the druggability (ligandability) of a protein. Previously proposed techniques were designed to assess the druggability of crystallographic structures and cannot be tightly coupled to molecular dynamics (MD) simulations. By contrast, the present approach, JEDI (<u>J</u>ust <u>E</u>xploring <u>D</u>ruggability at protein <u>I</u>nterfaces), features a druggability potential made of a combination of empirical descriptors that can be collected “on-the-fly” during MD simulations. Extensive validation studies indicate that JEDI analyses discriminate druggable and nondruggable protein binding site conformations with accuracy similar to alternative methodologies, and at a fraction of the computational cost. Since the JEDI function is continuous and differentiable, the druggability potential can be used as collective variable to rapidly detect cryptic druggable binding sites in proteins with a variety of MD free energy methods. Protocols for applications to flexible docking problems are outlined

Structural and anisotropy of magnetic susceptibility records of granitoid sheets emplacement during growth of a continental gneiss dome (Central Sudetes, European Variscan Belt)

International audienceGranitoid magmatic sheets emplaced syntectonically during growth of the Orlica-nienik mantled gneiss dome (Central Sudetes, European Variscan belt) were examined by means of structural geology, quartz, and anisotropy of magnetic susceptibility (AMS) fabric studies. Magmatic emplacement was localized along the eastern transpressive margin of the high metamorphic core and below the low-grade detached mantle rimming the southern margin of the dome. In the first area, the magmatic sheets were emplaced parallel to the dilated subhorizontal foliation of an anisotropic pre-orogenic block. The resulting melt-host rock multilayer localized the transpressive zone along which the bulk of magma was emplaced. The AMS study shows an across-strike fabric zonation underlying a strongly transpressive solid-state deformation in the hanging-wall, magmatic subhorizontal fabric in the foot-wall and a transitional fabric in the center of the intrusion. In contrast, along the southern dome margin, magmatic sheets intruded along steep foliations of weakly metamorphic mantle rocks, and are affected by recumbent folding and subhorizontal shearing. The bulk of the sheets present a shallow-dipping magmatic foliation and an along-strike magmatic lineation. The variations of the quartz and magnetic fabrics are attributed to superimposition of pure shear-dominated ductile thinning followed by simple shear-dominated detachment onto the original steep fabric. AMS modeling confirms the role of variation of orientation of pre-intrusive anisotropy during progressive deformation on the resulting fabric pattern and helps explaining observed variations in fabric orientations and symmetries. This study highlights contrasting mechanical behavior of syntectonically emplaced magmas in different parts of a growing crustal-scale mantled gneiss dome. Keyword